(4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate

C25H22N2O2 — CID 57330021

IUPAC(4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate
SMILESO=C(NCC(c1ccccc1)c1ccccc1)Oc1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H22N2O2/c28-25(29-23-15-13-22(14-16-23)27-17-7-8-18-27)26-19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,24H,19H2,(H,26,28)
InChIKeyHOOPVCMMVPROBN-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.40
Rot. Bonds6

About (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate

(4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate (PubChem CID 57330021) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate.

Molecular Properties

Compound Name(4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate
PubChem CID57330021
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate
SMILESO=C(NCC(c1ccccc1)c1ccccc1)Oc1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H22N2O2/c28-25(29-23-15-13-22(14-16-23)27-17-7-8-18-27)26-19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,24H,19H2,(H,26,28)
InChIKeyHOOPVCMMVPROBN-UHFFFAOYSA-N
XLogP5.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 57329537
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400
1-(4-benzhydrylphenyl)pyrrole
CID 155934324
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
[4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate
CID 19659089
phenyl N-(2-phenylethyl)carbamate
CID 12632743
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
phenyl N-(2-aminobutyl)carbamate
CID 63732215
phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468

Frequently Asked Questions

What is the IUPAC name of (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate?
The IUPAC name of (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate (CID 57330021) is (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate.
What is the SMILES notation for (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate?
The canonical SMILES for (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate is O=C(NCC(c1ccccc1)c1ccccc1)Oc1ccc(-n2cccc2)cc1.
What is the InChIKey of (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate?
The InChIKey is HOOPVCMMVPROBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-25(29-23-15-13-22(14-16-23)27-17-7-8-18-27)26-19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,24H,19H2,(H,26,28).
What are the key properties of (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate?
(4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate has a molecular weight of 382.46 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate is sourced from PubChem (CID 57330021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).